methyl 3-amino-1H-indazole-5-carboxylate

C9H9N3O2 — CID 84663082

IUPACmethyl 3-amino-1H-indazole-5-carboxylate
SMILESCOC(=O)c1ccc2[nH]nc(N)c2c1
InChIInChI=1S/C9H9N3O2/c1-14-9(13)5-2-3-7-6(4-5)8(10)12-11-7/h2-4H,1H3,(H3,10,11,12)
InChIKeyVUPBVRYJECHPOX-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.93
Rot. Bonds1

About methyl 3-amino-1H-indazole-5-carboxylate

methyl 3-amino-1H-indazole-5-carboxylate (PubChem CID 84663082) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is methyl 3-amino-1H-indazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-1H-indazole-5-carboxylate
PubChem CID84663082
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Namemethyl 3-amino-1H-indazole-5-carboxylate
SMILESCOC(=O)c1ccc2[nH]nc(N)c2c1
InChIInChI=1S/C9H9N3O2/c1-14-9(13)5-2-3-7-6(4-5)8(10)12-11-7/h2-4H,1H3,(H3,10,11,12)
InChIKeyVUPBVRYJECHPOX-UHFFFAOYSA-N
XLogP0.93
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-1H-indazole-5-carboxylate?
The IUPAC name of methyl 3-amino-1H-indazole-5-carboxylate (CID 84663082) is methyl 3-amino-1H-indazole-5-carboxylate.
What is the SMILES notation for methyl 3-amino-1H-indazole-5-carboxylate?
The canonical SMILES for methyl 3-amino-1H-indazole-5-carboxylate is COC(=O)c1ccc2[nH]nc(N)c2c1.
What is the InChIKey of methyl 3-amino-1H-indazole-5-carboxylate?
The InChIKey is VUPBVRYJECHPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c1-14-9(13)5-2-3-7-6(4-5)8(10)12-11-7/h2-4H,1H3,(H3,10,11,12).
What are the key properties of methyl 3-amino-1H-indazole-5-carboxylate?
methyl 3-amino-1H-indazole-5-carboxylate has a molecular weight of 191.19 g/mol, XLogP of 0.93, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-1H-indazole-5-carboxylate is sourced from PubChem (CID 84663082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).